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7400-58-0 | Cyclopentanol,2-(9H-purin-9-yl)-, trans- (9CI)
CAS No: 7400-58-0 Catalog No: AG005IJV MDL No:
Product Description
Catalog Number:
AG005IJV
Chemical Name:
Cyclopentanol,2-(9H-purin-9-yl)-, trans- (9CI)
CAS Number:
7400-58-0
Molecular Formula:
C10H12N4O
Molecular Weight:
204.2285
IUPAC Name:
2-purin-9-ylcyclopentan-1-ol
InChI:
InChI=1S/C10H12N4O/c15-9-3-1-2-8(9)14-6-13-7-4-11-5-12-10(7)14/h4-6,8-9,15H,1-3H2
InChI Key:
ALNZAMNUNABSQB-UHFFFAOYSA-N
SMILES:
OC1CCCC1n1cnc2c1ncnc2
NSC Number:
35003
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.233g/mol
Monoisotopic Mass:
204.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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